[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate

C21H22N4O3 — CID 174698053

IUPAC[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)O[C@]1(c2c[nH]c3ccccc23)NCC(=O)N1
InChIInChI=1S/C21H22N4O3/c1-2-25(14-15-8-4-3-5-9-15)20(27)28-21(23-13-19(26)24-21)17-12-22-18-11-7-6-10-16(17)18/h3-12,22-23H,2,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyKVQBZNBUZFWZBQ-OAQYLSRUSA-N
MW378.43 g/mol
LogP2.66
Rot. Bonds5

About [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate

[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate (PubChem CID 174698053) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Name[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate
PubChem CID174698053
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)O[C@]1(c2c[nH]c3ccccc23)NCC(=O)N1
InChIInChI=1S/C21H22N4O3/c1-2-25(14-15-8-4-3-5-9-15)20(27)28-21(23-13-19(26)24-21)17-12-22-18-11-7-6-10-16(17)18/h3-12,22-23H,2,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyKVQBZNBUZFWZBQ-OAQYLSRUSA-N
XLogP2.66
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate?
The IUPAC name of [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate (CID 174698053) is [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate.
What is the SMILES notation for [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate?
The canonical SMILES for [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate is CCN(Cc1ccccc1)C(=O)O[C@]1(c2c[nH]c3ccccc23)NCC(=O)N1.
What is the InChIKey of [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate?
The InChIKey is KVQBZNBUZFWZBQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-25(14-15-8-4-3-5-9-15)20(27)28-21(23-13-19(26)24-21)17-12-22-18-11-7-6-10-16(17)18/h3-12,22-23H,2,13-14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate?
[(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate has a molecular weight of 378.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-indol-3-yl)-4-oxoimidazolidin-2-yl] N-benzyl-N-ethylcarbamate is sourced from PubChem (CID 174698053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).